| CAS Number | 1349715-80-5 |
| Catalog Number | AG00HTT8(AGN-PC-0BEP7L) |
| Chemical Name | 4-(Oxetan-3-yloxy)aniline |
| IUPAC Name | 4-(oxetan-3-yloxy)aniline |
| InChI | InChI=1S/C9H11NO2/c10-7-1-3-8(4-2-7)12-9-5-11-6-9/h1-4,9H,5-6,10H2 |
| InChI Key | MEEYTJFWCZEPMN-UHFFFAOYSA-N |
| MDL Number | MFCD20233076 |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| SMILES | NC1=CC=C(OC2COC2)C=C1 |
| Synonyms | 4-(Oxetan-3-yloxy)aniline,
1349715-80-5,
SCHEMBL18037885,
KS-000007TM,
MFCD20233076,
ZINC71791882,
AKOS023557618,
NE19679,
AS-34824,
CS-0051139,
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| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.192g/mol |
| Monoisotopic Mass | 165.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number